3-[(1R)-1-hydroxy-3-oxobutyl]-4,7,8-trimethoxy-1H-quinolin-2-one
| Internal ID | 32eed395-7701-4e43-9b7c-f4e79c55e205 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives |
| IUPAC Name | 3-[(1R)-1-hydroxy-3-oxobutyl]-4,7,8-trimethoxy-1H-quinolin-2-one |
| SMILES (Canonical) | CC(=O)CC(C1=C(C2=C(C(=C(C=C2)OC)OC)NC1=O)OC)O |
| SMILES (Isomeric) | CC(=O)C[C@H](C1=C(C2=C(C(=C(C=C2)OC)OC)NC1=O)OC)O |
| InChI | InChI=1S/C16H19NO6/c1-8(18)7-10(19)12-14(22-3)9-5-6-11(21-2)15(23-4)13(9)17-16(12)20/h5-6,10,19H,7H2,1-4H3,(H,17,20)/t10-/m1/s1 |
| InChI Key | YGAKTQSJNNGYQZ-SNVBAGLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H19NO6 |
| Molecular Weight | 321.32 g/mol |
| Exact Mass | 321.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 94.10 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 3-[(1R)-1-hydroxy-3-oxobutyl]-4,7,8-trimethoxy-1H-quinolin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-1r-1-hydroxy-3-oxobutyl-478-trimethoxy-1h-quinolin-2-one.jpg "2D Structure of 3-[(1R)-1-hydroxy-3-oxobutyl]-4,7,8-trimethoxy-1H-quinolin-2-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.06% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.63% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.48% | 94.45% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 94.24% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.65% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.17% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.30% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.47% | 98.59% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.55% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.89% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.63% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.08% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.85% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.78% | 97.28% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.45% | 99.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Tetradium glabrifolium |
| PubChem | 163187195 |
| LOTUS | LTS0077634 |
| wikiData | Q105347932 |